3-(2-oxidanylidene-8-pyridin-2-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzenecarbonitrile

Systemtic Name: 3-(2-oxidanylidene-8-pyridin-2-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzenecarbonitrile Openeye Name: 3-[2-oxo-8-(2-pyridyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile CAS Name: 3-[2-oxo-8-(2-pyridinyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile IUPAC Name: 3-(2-oxo-8-pyridin-2-yl-1,3-dihydro-1,5-benzodiazepin-4-yl)benzonitrile Traditional Name: 3-[2-keto-8-(2-pyridyl)-1,3-dihydro-1,5-benzodiazepin-4-yl]benzonitrile Formula: C21H14N4O MolecularWeight: 338.36206

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)C3=CC=CC=N3)NC1=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)C3=CC=CC=N3)NC1=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H14N4O/c22-13-14-4-3-5-15(10-14)19-12-21(26)25-20-11-16(7-8-18(20)24-19)17-6-1-2-9-23-17/h1-11H,12H2,(H,25,26)